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Home > Boronic Acids > 78336-55-7
78336-55-7 | 2,2'-Bi-1,3,2-benzodithiaborole
CAS No: 78336-55-7 Catalog No: AG005BZQ MDL No:
Product Description
Catalog Number:
AG005BZQ
Chemical Name:
2,2'-Bi-1,3,2-benzodithiaborole
CAS Number:
78336-55-7
Molecular Formula:
C12H8B2S4
Molecular Weight:
302.0739
IUPAC Name:
2-(1,3,2-benzodithiaborol-2-yl)-1,3,2-benzodithiaborole
InChI:
InChI=1S/C12H8B2S4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H
InChI Key:
BXXMVURPUJADOO-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)SB(S2)B1Sc2c(S1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.969g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.056g/mol
Monoisotopic Mass:
301.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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